BindingDB logo
myBDB logout

BDBM50472551 PROXYFAN::proxifan::proxyfan

SMILES: C(COCc1ccccc1)Cc1c[nH]cn1

InChI Key: InChIKey=WNWALBVQAAIULR-UHFFFAOYSA-N

Data: 4 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50472551   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472551
PNG
(PROXYFAN | proxifan | proxyfan)
Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
PKi was measured by Histamine H3 receptor binding assay (N-alpha-MeHA) on rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50472551
PNG
(PROXYFAN | proxifan | proxyfan)
Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50472551
PNG
(PROXYFAN | proxifan | proxyfan)
Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472551
PNG
(PROXYFAN | proxifan | proxyfan)
Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
1.00E+14n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50472551
PNG
(PROXYFAN | proxifan | proxyfan)
Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50472551
PNG
(PROXYFAN | proxifan | proxyfan)
Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 63n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair